Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50370690'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50370690 (CHEMBL1628081) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CS(N)(=O)=O)ccc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H25NO3S/c1-19-9-8-15-14-4-2-12(11-24(20,22)23)10-13(14)3-5-16(15)17(19)6-7-18(19)21/h2,4,10,15-17H,3,5-9,11H2,1H3,(H2,20,22,23)/t15-,16-,17+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX				Bioorg Med Chem Lett 15: 5192-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.102 BindingDB Entry DOI: 10.7270/Q20002VN
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